1H-1,2,3-Triazolo(4,5-b)pyridine

C₅H₄N₄CAS 273-34-7120.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄N₄
Molar mass: 120.11 g/mol
Exact mass: 120.0436 Da
logP: 0.35Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

273-34-7

SMILES

C1=CC2=NNN=C2N=C1

InChIKey

VQNDBXJTIJKJPV-UHFFFAOYSA-N

InChI

InChI=1S/C5H4N4/c1-2-4-5(6-3-1)8-9-7-4/h1-3H,(H,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1H-1,2,3-Triazolo[4,5-B]pyridine

Work with 1H-1,2,3-Triazolo(4,5-b)pyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pyrido[2,3-b]pyrazine322-46-352 % similar 1,5-Naphthyridine254-79-548 % similar 1,8-Naphthyridine254-60-444 % similar Quinoline91-22-541 % similar Imidazo[4,5-b]pyridine273-21-240 % similar 1H-Pyrazolo[3,4-B]pyridine,3-methyl-(9ci)116834-96-939 % similar 3-Iodo-1H-pyrazolo(3,4-b)pyridine117007-52-039 % similar 3-Bromo-1H-pyrazolo(4,3-b)pyridine633328-33-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Purine120-73-0 4-Amino-5-cyanopyrimidine16357-69-0 3-Aminopyrazine-2-carbonitrile25911-65-3 5-Aminopyrimidine-2-carbonitrile56621-93-3

Elsewhere

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